orbital_charges     :real:2:4,6
  0.174778328585665E+001  0.153987939812523E+001  0.199974312045527E+001
  0.137489178642103E+001  0.689959541454543E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.663697728894984E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.174382681231375E+001  0.180911668382249E+001  0.122001658130610E+001
  0.185868764446802E+001  0.676198488731241E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.676198928150694E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,6
 -0.151537343617592E-002 -0.359819030528763E-002  0.922479283831466E-004
 -0.889653267427985E-002  0.835928157622803E-002 -0.184220572315536E-003
  0.123131723090704E-001 -0.487852856255103E-002  0.904531767406484E-004
 -0.361476487803791E-002  0.212155524165134E-002 -0.503545408409279E-004
  0.890196783869687E-003 -0.723143755807704E-003  0.112504549539290E-001
  0.823301895553505E-003 -0.128097419423294E-002 -0.111985809458963E-001
mermin_energy       :real:0:
 -0.816851564823244E+001
end_coords          :real:2:3,6
 -0.132695803027617E+001 -0.105938038919734E+000  0.187876557784517E-001
 -0.193166467744346E+001  0.160017461370491E+001 -0.217110618827832E-001
  0.486644126304833E+000  0.795971483649328E-001  0.986247993439340E-002
  0.419683764598126E+001  0.504878092368631E-001  0.117163011291893E-002
  0.490855002725183E+001 -0.777930269636365E+000  0.144893795311295E+001
  0.490031460139361E+001 -0.849424272962272E+000 -0.140743390122579E+001
